N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine

C13H24N2O — CID 103227328

IUPACN-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CC=C(C)CC1
InChIInChI=1S/C13H24N2O/c1-11-5-7-15(8-6-11)13(10-16-2)9-14-12-3-4-12/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyJPOMTNPEMTZPSA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds6

About N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine

N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine (PubChem CID 103227328) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
PubChem CID103227328
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CC=C(C)CC1
InChIInChI=1S/C13H24N2O/c1-11-5-7-15(8-6-11)13(10-16-2)9-14-12-3-4-12/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyJPOMTNPEMTZPSA-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227351
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227352
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227353
N-ethyl-3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227354
3-methoxy-N-propan-2-yl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227355
3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227356
3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
3-methoxy-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113790721
1-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490205
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490234
(2S,4Z,6Z)-1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methyl-3-methylideneocta-4,6-diene-1,2-diamine
CID 132122159
N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
CID 154992836

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine (CID 103227328) is N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine is COCC(CNC1CC1)N1CC=C(C)CC1.
What is the InChIKey of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The InChIKey is JPOMTNPEMTZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-5-7-15(8-6-11)13(10-16-2)9-14-12-3-4-12/h5,12-14H,3-4,6-10H2,1-2H3.
What are the key properties of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 103227328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).